2-acetamido-N-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-methyl-3-nitrososulfanyl-butanamide

Systemtic Name: 2-acetamido-N-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-methyl-3-nitrososulfanyl-butanamide Openeye Name: 2-acetamido-N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-3-methyl-3-nitrososulfanyl-butanamide CAS Name: 2-acetamido-N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-3-methyl-3-(nitrosothio)butanamide IUPAC Name: 2-acetamido-N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methyl-3-nitrososulfanylbutanamide Traditional Name: 2-acetamido-N-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl]-3-methyl-3-(nitrosothio)butyramide Formula: C17H24N8O6S MolecularWeight: 468.48746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)NCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)C(C)(C)SN=O

Isomeric SMILES

CC(=O)NC(C(=O)NCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)C(C)(C)SN=O

InChI

InChI=1S/C17H24N8O6S/c1-7(26)23-12(17(2,3)32-24-30)15(29)19-4-8-10(27)11(28)16(31-8)25-6-22-9-13(18)20-5-21-14(9)25/h5-6,8,10-12,16,27-28H,4H2,1-3H3,(H,19,29)(H,23,26)(H2,18,20,21)